N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide

C25H35N3O — CID 69444575

IUPACN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H35N3O/c1-16(2)14-22-21(15-26)23(19-12-10-17(3)11-13-19)24(18(4)27-22)28-25(29)20-8-6-5-7-9-20/h10-13,16,20H,5-9,14-15,26H2,1-4H3,(H,28,29)
InChIKeyLALIJZWPABQIBG-UHFFFAOYSA-N
MW393.58 g/mol
LogP5.54
Rot. Bonds6

About N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide

N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 69444575) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide
PubChem CID69444575
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC NameN-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide
SMILESCc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H35N3O/c1-16(2)14-22-21(15-26)23(19-12-10-17(3)11-13-19)24(18(4)27-22)28-25(29)20-8-6-5-7-9-20/h10-13,16,20H,5-9,14-15,26H2,1-4H3,(H,28,29)
InChIKeyLALIJZWPABQIBG-UHFFFAOYSA-N
XLogP5.54
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.58
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-1,1-dimethylurea
CID 69446296
1-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 174512376
ethyl 1-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]piperidine-4-carboxylate;dihydrochloride
CID 69445542
[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]urea
CID 174512378
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]furan-2-carboxamide
CID 69443877
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methanesulfonamide;dihydrochloride
CID 69449207
2-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-N-cyclopropylacetamide
CID 174497412
2-[4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]-2-oxopiperazin-1-yl]acetic acid;dihydrochloride
CID 69445192
2-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]benzoic acid;dihydrochloride
CID 174497476
3-[[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]carbamoyl]benzoic acid
CID 174497406
5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid
CID 69442860
N-[5-(aminomethyl)-4-[4-(aminomethyl)phenyl]-2-methyl-6-(2-methylpropyl)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 174512538

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide (CID 69444575) is N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide is Cc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is LALIJZWPABQIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-16(2)14-22-21(15-26)23(19-12-10-17(3)11-13-19)24(18(4)27-22)28-25(29)20-8-6-5-7-9-20/h10-13,16,20H,5-9,14-15,26H2,1-4H3,(H,28,29).
What are the key properties of N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide?
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 393.58 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 69444575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).